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Title:THE CP-FTMW SPECTRUM OF 1-CHLOROMETHYL-1-FLUOROSILACYCLOPENTANE
Author(s):Pulliam, Tiara
Contributor(s):Grubbs II, G. S.; Guirgis, Gamil A; McFadden, Thomas M. C.; Marshall, Frank E
Subject(s):Conformers and isomers
Abstract:Following a series of previously studied silicon-containing ring molecules, the rotational spectra of 1-chloromethyl-1-fluorosilacyclopentane were observed on a CP-FTMW spectrometer in the 6-18 GHz region. Using quantum chemical computational approaches, the molecule has multiple predicted stable conformers with both trans and gauche positions of the chlorine/fluorine pair with the gauche typically being largest in dipole, but the trans being lowest in energy. This presentation will discuss the observed conformers in the spectra and attempt to make predictions on which conformers are the most stable using spectral intensity arguments and comparisons to the quantum chemical calculations. Furthermore, the structure of this molecule will be compared to the previous silicon-containing ring molecules made by this group as well as others.
Issue Date:24-Jun-20
Publisher:International Symposium on Molecular Spectroscopy
Citation Info:APS
Genre:CONFERENCE PAPER/PRESENTATION
Type:Text
Language:English
URI:http://hdl.handle.net/2142/107403
Date Available in IDEALS:2020-06-26


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